SCHEMBL29795685

SCHEMBL29795685

CC(C)(C)OC(=O)N1CCN(c2cc(N)c(N)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
SMARCA2 P51531 1/20 0.52
SMARCA4 P51532 1/20 0.52
PBRM1 Q86U86 1/20 0.52
ALDH1A1 P00352 5/20 0.47
HTT P42858 3/20 0.47
GPR119 Q8TDV5 4/20 0.46
LMNA P02545 2/20 0.46
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4130066 1.00 MAPT (0.54) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21999659 0.93 MAPT (0.53) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6128555 0.93 SMARCA2 (0.51) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8221137 0.91 SMARCA2 (0.55) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30965579 0.91 MAPT (0.53) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30965786 0.90 SMARCA2 (0.48) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL25225007 0.89 SMARCA2 (0.47) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21937028 0.88 MAPT (0.51) MAPTSMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL22716709 0.87 SMARCA2 (0.47) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30258822 0.87 SMARCA2 (0.47) MAPTMEN1CYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed